Prediction of PVT properties of polymer melts with a new group-contribution equation of state

Satō, Yoshiyuki; Hashiguchi, Hajime; Takishima, Shigeki; Masuoka, Hirokatsu

doi:10.1016/s0378-3812(97)00287-2

Cited by 23 publications

(17 citation statements)

References 31 publications

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“…Based on the GCMCM characteristic parameters, the PVT data can be predicted. For the 32 homopolymers and 20 copolymers investigated, the average prediction errors of the specific volumes from GCMCM were 0.67% and 1.01%, respectively .…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

“…PVT data are required to provide polymer densities in order to convert solubility data between weight and volume basis. In lieu of experimental PVT data, a group contribution modified cell model approach, developed by Sato et al , can be used. The GCMCM is based on the modified cell model (MCM) EOS , which introduces a parameter, r , that decouples the potential from the type of lattice used:

\frac{\tilde{P} \tilde{V}}{\tilde{T}} = \frac{{\tilde{V}}^{1 / 3}}{{\tilde{V}}^{1 / 3} - 0.8909 r} - \frac{2}{\tilde{T}} true(\frac{1.2045}{{\tilde{V}}^{2}} - \frac{1.011}{{\tilde{V}}^{4}} true)

\overset{P}{true} = \frac{P}{P^{*}}, \overset{V}{true} = \frac{V}{V^{*}}, \overset{T}{true} = \frac{T}{T^{*}}

…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

“…Dee and Walsh determined that r = 1.07 from an average of r values for seven different polymers including PP, and, for simplicity, assumed r to be a constant for all polymer liquids. Group contribution methods can be used to determine the MCM characteristic parameters in order to generate predicted state properties for a polymer . GCMCM is a relatively simple method for predicting PVT data with only knowledge of the polymer chemical structure.…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

“…GCMCM is a relatively simple method for predicting PVT data with only knowledge of the polymer chemical structure. Sato et al also developed mixing rules for copolymers, where i represents the monomer component. This method is also summarized well in .…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

“…In this work, we calculate the solubility of a gas in a polymer using knowledge of solubility of other gases in the polymer of interest in order to understand foam microstructure. Our method is based on a correlation developed by Stern et al and the group contribution modified cell model (GCMCM) developed by Sato et al . We apply our method to predict solubility of N 2 gas in PHBV.…”

Section: Introductionmentioning

confidence: 99%

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Prediction of gas solubility in poly(3-hydroxybutyrate-co -3-hydroxyvalerate) melt to inform process design and resulting foam microstructure

2013

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Foaming studies on poly(3‐hydroxybutyrate‐co‐3‐hydroxyvalerate) (PHBV) were performed to evaluate the potential impact of nitrogen gas solubility on foam microstructure and properties. It was found that there was a step change from low to high cell density below and above a specific pressure threshold. This pressure threshold, which is associated with nitrogen gas solubility in PHBV, was calculated in order to inform processing requirements for extrusion foaming of PHBV. In the process, the PVT properties of PHBV were also calculated to account for polymer swelling at high temperature and pressure. To validate the predictive method applied in this work, gas solubility of nitrogen was also determined for polypropylene (PP) and poly(lactic acid) (PLA), which have similar thermal and rheological properties to PHBV. Predicted PVT properties for PP were found to be similar to experimental values in the literature, with the predicted solubility having a 10–14% error for PP and 20–24% error for PLA. Application of the same error range to the solubility predicted for PHBV aligned well with experimental observations. POLYM. ENG. SCI., 54:2683–2695, 2014. © 2013 Society of Plastics Engineers

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Section: Experimental Materials and Methodsmentioning

confidence: 99%

\frac{\tilde{P} \tilde{V}}{\tilde{T}} = \frac{{\tilde{V}}^{1 / 3}}{{\tilde{V}}^{1 / 3} - 0.8909 r} - \frac{2}{\tilde{T}} true(\frac{1.2045}{{\tilde{V}}^{2}} - \frac{1.011}{{\tilde{V}}^{4}} true)

\overset{P}{true} = \frac{P}{P^{*}}, \overset{V}{true} = \frac{V}{V^{*}}, \overset{T}{true} = \frac{T}{T^{*}}

…”

Section: Experimental Materials and Methodsmentioning

confidence: 99%

Section: Experimental Materials and Methodsmentioning

confidence: 99%

Section: Experimental Materials and Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Prediction of gas solubility in poly(3-hydroxybutyrate-co -3-hydroxyvalerate) melt to inform process design and resulting foam microstructure

2013

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An improved prediction result of entropic‐FV model for vapor–liquid equilibria of solvent–polymer systems

Wibawa

Takishima

Satō

et al. 2005

J of Applied Polymer Sci

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ABSTRACT:In this work, entropic expressions of UNI-FAC-FV and Entropic-FV models were evaluated by using an extensive database of infinite dilution vapor-liquid equilibrium (VLE) data of athermal systems containing polypropylene, polyethylene, and polyisobutylene. For the infinite dilution athermal systems, performance of the Entropic-FV model was better than that of the UNIFAC-FV model. Then, finite concentration VLE data of non-athermal systems that consisted of 16 polymers and 36 solvents containing a large variety of solvent-polymer systems ranging from nonpolar to polar substances were considered to optimized 46 pairs of group interaction parameters of the Entropic-FV model. For systems containing polar solvents of three types of solvents studied, revised group interaction parameters gave significant improvements from 17.9 to 13.0% average absolute deviation (AAD) of solvent activities. For overall results, improvements were achieved from 15.1 to 12.4% AAD.

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Structure and processing relationship for olefin copolymers

Halász

Belina

Vorster

2006

Polymers for Advanced Techs

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Prediction of PVT properties of polymer melts with a new group-contribution equation of state

Cited by 23 publications

References 31 publications

Prediction of gas solubility in poly(3-hydroxybutyrate-co -3-hydroxyvalerate) melt to inform process design and resulting foam microstructure

Prediction of gas solubility in poly(3-hydroxybutyrate-co -3-hydroxyvalerate) melt to inform process design and resulting foam microstructure

An improved prediction result of entropic‐FV model for vapor–liquid equilibria of solvent–polymer systems

Structure and processing relationship for olefin copolymers

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